(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane

C18H20O2 — CID 1203325

IUPAC(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
SMILESC[C@@]1(c2ccccc2)CO[C@](C)(c2ccccc2)CO1
InChIInChI=1S/C18H20O2/c1-17(15-9-5-3-6-10-15)13-20-18(2,14-19-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyLONWCTVTEQPOTG-ROUUACIJSA-N
MW268.36 g/mol
LogP3.86
Rot. Bonds2

About (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane

(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane (PubChem CID 1203325) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
PubChem CID1203325
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
SMILESC[C@@]1(c2ccccc2)CO[C@](C)(c2ccccc2)CO1
InChIInChI=1S/C18H20O2/c1-17(15-9-5-3-6-10-15)13-20-18(2,14-19-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyLONWCTVTEQPOTG-ROUUACIJSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
CID 146305548
1-ethenyl-2-methylbenzene;2-methyl-2-phenyloxirane
CID 178075043
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane
CID 163509320
(6R)-6-methyl-6-phenyl-2,5-dihydropyran
CID 100966359
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
CID 10773606
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
2-(4-isocyanophenyl)-2-methyloxirane
CID 123674399
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane?
The IUPAC name of (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane (CID 1203325) is (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane?
The canonical SMILES for (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane is C[C@@]1(c2ccccc2)CO[C@](C)(c2ccccc2)CO1.
What is the InChIKey of (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane?
The InChIKey is LONWCTVTEQPOTG-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20O2/c1-17(15-9-5-3-6-10-15)13-20-18(2,14-19-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane?
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane has a molecular weight of 268.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane is sourced from PubChem (CID 1203325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).